N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine

C15H21F2NO — CID 65081271

IUPACN-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccccc2OC(F)F)CC1
InChIInChI=1S/C15H21F2NO/c1-11-5-4-6-12(10-9-11)18-13-7-2-3-8-14(13)19-15(16)17/h2-3,7-8,11-12,15,18H,4-6,9-10H2,1H3
InChIKeyAIDRWZISKSMHPU-UHFFFAOYSA-N
MW269.33 g/mol
LogP4.67
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine

N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine (PubChem CID 65081271) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine
PubChem CID65081271
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccccc2OC(F)F)CC1
InChIInChI=1S/C15H21F2NO/c1-11-5-4-6-12(10-9-11)18-13-7-2-3-8-14(13)19-15(16)17/h2-3,7-8,11-12,15,18H,4-6,9-10H2,1H3
InChIKeyAIDRWZISKSMHPU-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
CID 43106368
N-[2-(difluoromethoxy)phenyl]thian-4-amine
CID 43511331
N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine
CID 79941506
N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine
CID 62977442
N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline
CID 63453489
N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81465818
1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine
CID 117027474
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142
methyl 2-[(4-methylcycloheptyl)amino]benzoate
CID 65081177
N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline
CID 43766730
4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 63593630
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
CID 106871886

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine (CID 65081271) is N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine is CC1CCCC(Nc2ccccc2OC(F)F)CC1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine?
The InChIKey is AIDRWZISKSMHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11-5-4-6-12(10-9-11)18-13-7-2-3-8-14(13)19-15(16)17/h2-3,7-8,11-12,15,18H,4-6,9-10H2,1H3.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine?
N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65081271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).